(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine

C6H10ClNO — CID 143972679

IUPAC(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine
SMILESCO/C(C)=C/C=C(\N)Cl
InChIInChI=1S/C6H10ClNO/c1-5(9-2)3-4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-
InChIKeyKJBNPBZNPPPIPW-UZNMPDEFSA-N
MW147.60 g/mol
LogP1.58
Rot. Bonds2

About (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine

(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine (PubChem CID 143972679) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine
PubChem CID143972679
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine
SMILESCO/C(C)=C/C=C(\N)Cl
InChIInChI=1S/C6H10ClNO/c1-5(9-2)3-4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-
InChIKeyKJBNPBZNPPPIPW-UZNMPDEFSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol
CID 143972446
(1E,3E)-1-chloro-4-methoxyhexa-1,3,5-trien-1-amine
CID 153652078
(2Z,4E)-5-chloro-2-methoxyhexa-2,4-dien-3-amine
CID 166129434
(3E,5Z)-5-chloro-6-methoxyhepta-1,3,5-trien-4-amine
CID 172622257

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine (CID 143972679) is (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine is CO/C(C)=C/C=C(\N)Cl.
What is the InChIKey of (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine?
The InChIKey is KJBNPBZNPPPIPW-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H10ClNO/c1-5(9-2)3-4-6(7)8/h3-4H,8H2,1-2H3/b5-3+,6-4-.
What are the key properties of (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine?
(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine has a molecular weight of 147.60 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine is sourced from PubChem (CID 143972679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).